Geometry & MOs

Info

ID:	248177
PubChem CID:	103079458
Reduced:	SN4O4H8C10 (1)
Stoich.:	AB4C4D8E10 (1)
Weight, g/mol:	271.062677
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	9.11
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1-methyl-4-nitropyrazol-3-yl)sulfanylmethyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations